N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide

C9H11NO2 — CID 64990494

IUPACN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide
SMILESO=CNC1CCCc2occc21
InChIInChI=1S/C9H11NO2/c11-6-10-8-2-1-3-9-7(8)4-5-12-9/h4-6,8H,1-3H2,(H,10,11)
InChIKeyYIXJOFDVXRPYKO-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.40
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide (PubChem CID 64990494) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide
PubChem CID64990494
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide
SMILESO=CNC1CCCc2occc21
InChIInChI=1S/C9H11NO2/c11-6-10-8-2-1-3-9-7(8)4-5-12-9/h4-6,8H,1-3H2,(H,10,11)
InChIKeyYIXJOFDVXRPYKO-UHFFFAOYSA-N
XLogP1.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide (CID 64990494) is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide is O=CNC1CCCc2occc21.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide?
The InChIKey is YIXJOFDVXRPYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-6-10-8-2-1-3-9-7(8)4-5-12-9/h4-6,8H,1-3H2,(H,10,11).
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide?
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide has a molecular weight of 165.19 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)formamide is sourced from PubChem (CID 64990494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).